Scientific Software Co-Op: Comput. Chemistry & Spectroscopy

Boehringer Ingelheim GmbH; Ridgefield (CT); On-site; USD 33,000 - 45,000; Part time

Benefits offered by this job

Medical coverage

Paid time off

Paid holidays

Disability and life insurance

Job summary

Boehringer Ingelheim is seeking a talented Scientific Software Engineering Co-Op to join the Materials and Analytical Sciences team in Ridgefield, CT. Work on turning a structure-constrained IR assignment engine into a scalable, production-ready application for pharmaceutical solids, with exposure to ML and cheminformatics approaches.

You will implement robust, reproducible workflows, contribute to reports, and help build a unified pipeline for spectra processing and IR assignment generation.

Qualifications

• Must be a current undergraduate, graduate or advanced degree student in good academic standing.
• Students must be enrolled at an accredited college or university for the duration of the co-op.
• Overall cumulative minimum GPA from last completed quarter/semester 3.0 GPA (on a 4.0 scale) preferred.
• Major or minor in related field of co-op.
• Undergraduate students must have completed at least 12 credit hours at current college or university.
• Graduate and advanced degree students must have completed at least 9 credit hours at current college or university.

Responsibilities

• Scale the existing structure-constrained assignment engine into a robust, documented, user-facing application that analysts can run independently.
• Predict and rationalize characteristic IR band positions for pharmaceutical solids using structure-based and, where relevant, QM/MLIP approaches.
• Explore machine learning and cheminformatics approaches to complement first-principles predictions and improve assignment accuracy across functional-group classes.
• Implement deterministic, reproducible execution: configuration control, input validation, logging, error handling, version tagging and audit-friendly output.
• Automate generation of review-ready IR assignment reports.
• Build a curated benchmark set from portfolio spectra and SME-verified assignments.
• Build one integrated pipeline that takes structural input, processes spectra, predicts assignments and generates review-ready reports automatically.
• Present progress and final results in section and departmental meetings and contribute to internal reports or publications where appropriate

Skills

Python for scientific computing

Streamlit/FastAPI/Flask

version control (Git)

Docker/Conda environments

data analysis/benchmarking

Education

Undergraduate/Graduate student

3.0 GPA (preferred)

12 credit hours completed

Tools

RDKit

NumPy

Job description

Boehringer Ingelheim is seeking a talented Scientific Software Engineering Co-Op to join the Materials and Analytical Sciences team in Ridgefield, CT. Work on turning a structure-constrained IR assignment engine into a scalable, production-ready application for pharmaceutical solids, with exposure to ML and cheminformatics approaches.

You will implement robust, reproducible workflows, contribute to reports, and help build a unified pipeline for spectra processing and IR assignment generation.